Strategy 1
The crystal faces are indexed and the face distances determined (e.g. with the
microscope of the diffractometer). EUHEDRAL is used for optimizing the
description.
Crystal description
If the crystal description was not given in the file name.ins, you can
now edit this file with with the command edit.
Step 1
In a first step we recommend a volume refinement with the command
volume.
Warning: When the volume factor changes too much, either your crystal
description or the given absorption coefficient is wrong. Do not continue, but
choose another strategy.
Step 2
In a second step, the individual face distances are refined separately with the
commands
distance or
amoeba.
With the refinement option
centric,
the user
can force EUHEDRAL to refine Friedel-faces together (often advisable in this
stage of the refinement!).
Further steps
By repeating the commands
volume and
distance
(or amoeba)
a minimum in the refinement should be reached.